C++ (Cpp) free_atomgrp示例

示例#1

文件： protein.cpp 项目： ampereira/F2Dock

void free_atomgrps (struct atomgrp** ress)
{
	int resn = 0;
	while (ress[resn] != NULL)
	{
		free_atomgrp (ress[resn]);
		resn++;
	}
	free (ress);
}

示例#2

文件： atom_group.c 项目： Acpharis/libmol

void
replace_coordinates(struct atomgrp* ag, const char* pdb_path)
{
    struct atomgrp* ag_new = read_pdb_nopar(pdb_path);

    if (ag_new->natoms != ag->natoms) {
        _mol_error("new atomgroup has %d atoms, old has %d atoms", ag_new->natoms, ag->natoms);
        exit(EXIT_FAILURE);
    }

    int list[ag->natoms];
    for (int i=0; i<ag->natoms; i++) {
        list[i] = i;
    }

    setup_subag(ag, ag_new, ag->natoms, list);

    free_atomgrp(ag_new);
}